1-(2,2-difluoroethyl)-N-(1-ethoxypropan-2-yl)pyrazol-3-amine

C10H17F2N3O — CID 115921008

IUPAC1-(2,2-difluoroethyl)-N-(1-ethoxypropan-2-yl)pyrazol-3-amine
SMILESCCOCC(C)Nc1ccn(CC(F)F)n1
InChIInChI=1S/C10H17F2N3O/c1-3-16-7-8(2)13-10-4-5-15(14-10)6-9(11)12/h4-5,8-9H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyFEFPNJQGVLBPEJ-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.99
Rot. Bonds7

About 1-(2,2-difluoroethyl)-N-(1-ethoxypropan-2-yl)pyrazol-3-amine

1-(2,2-difluoroethyl)-N-(1-ethoxypropan-2-yl)pyrazol-3-amine (PubChem CID 115921008) has the molecular formula C10H17F2N3O and a molecular weight of 233.26 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-(1-ethoxypropan-2-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(1-ethoxypropan-2-yl)pyrazol-3-amine
PubChem CID115921008
Molecular FormulaC10H17F2N3O
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name1-(2,2-difluoroethyl)-N-(1-ethoxypropan-2-yl)pyrazol-3-amine
SMILESCCOCC(C)Nc1ccn(CC(F)F)n1
InChIInChI=1S/C10H17F2N3O/c1-3-16-7-8(2)13-10-4-5-15(14-10)6-9(11)12/h4-5,8-9H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyFEFPNJQGVLBPEJ-UHFFFAOYSA-N
XLogP1.99
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,2-difluoroethyl)-N-(1-ethoxypropan-2-yl)pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxyethyl)-1H-pyrazol-3-amine
CID 45116728
1-(oxolan-3-yl)-1H-pyrazol-5-amine
CID 63335329
1-(oxetan-3-yl)-1H-pyrazol-3-amine
CID 145875913
1-(3-methoxypropyl)-N-(oxan-4-yl)pyrazol-3-amine
CID 71918463
1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazol-3-amine
CID 61490885
N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-3-amine
CID 71921295
3-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-2-amine
CID 72043621
1-(2,2-difluoroethyl)-N-pentan-3-ylpyrazol-3-amine
CID 75483532
1-(3-methylbutyl)-N-(2-methyloxolan-3-yl)pyrazol-3-amine
CID 75483545
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2S)-2-morpholin-4-ylpropyl]urea
CID 95788724
1-(2-methoxyethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrazol-3-amine
CID 97338427
N-ethyl-2-[3-[[(2S)-1-methoxypropan-2-yl]amino]pyrazol-1-yl]acetamide
CID 97338499

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-(1-ethoxypropan-2-yl)pyrazol-3-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(1-ethoxypropan-2-yl)pyrazol-3-amine (CID 115921008) is 1-(2,2-difluoroethyl)-N-(1-ethoxypropan-2-yl)pyrazol-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(1-ethoxypropan-2-yl)pyrazol-3-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(1-ethoxypropan-2-yl)pyrazol-3-amine is CCOCC(C)Nc1ccn(CC(F)F)n1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(1-ethoxypropan-2-yl)pyrazol-3-amine?
The InChIKey is FEFPNJQGVLBPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O/c1-3-16-7-8(2)13-10-4-5-15(14-10)6-9(11)12/h4-5,8-9H,3,6-7H2,1-2H3,(H,13,14).
What are the key properties of 1-(2,2-difluoroethyl)-N-(1-ethoxypropan-2-yl)pyrazol-3-amine?
1-(2,2-difluoroethyl)-N-(1-ethoxypropan-2-yl)pyrazol-3-amine has a molecular weight of 233.26 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-(1-ethoxypropan-2-yl)pyrazol-3-amine is sourced from PubChem (CID 115921008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).